Re: [Rdkit-devel] Enhancements to the 2D drawing API

2015-01-28 Thread Igor Filippov
Greg, Sure, no problem - I have a code for PNG drawer already, I can get it to you. Are there prototypes (declarations) for the new functions already available? If so, I can take a look how easy it is to translate to wxWidgets api. Igor On Wed, Jan 28, 2015 at 12:17 AM, Greg Landrum wrote: > D

Re: [Rdkit-devel] Enhancements to the 2D drawing API

2015-01-28 Thread Greg Landrum
Hi Igor, The new functions are: virtual void drawPolygon( const std::vector > &cds ) = 0; virtual void drawEllipse( const std::pair &cds1 ,const std::pair &cds2 ); I've done drawPolygon() already but haven't tested it. The second does not *need* to be implemented (there is code that simulates it

[Rdkit-devel] Install RDKit

2015-01-28 Thread Soren Wacker
Hi, I want to install RDKit to a certain directory. However, when I am in the source directory and do md build cd build cmake .. -DCMAKE_INSTALL_PREFIX=/home/.../Programme/RDKit make make install RDKit is build and installed, but not to the directory. Where is RDKit then located? And why is it

Re: [Rdkit-devel] Install RDKit

2015-01-28 Thread David Hall
my guess: -DRDK_INSTALL_INTREE=OFF -David On Wed, Jan 28, 2015 at 3:14 PM, Soren Wacker wrote: > Hi, > > I want to install RDKit to a certain directory. > However, when I am in the source directory and do > > md build > cd build > cmake .. -DCMAKE_INSTALL_PREFIX=/home/.../Programme/RDKit > >

Re: [Rdkit-devel] Install RDKit

2015-01-28 Thread Paul Emsley
On 28/01/15 20:14, Soren Wacker wrote: Hi, I want to install RDKit to a certain directory. However, when I am in the source directory and do md build cd build cmake .. -DCMAKE_INSTALL_PREFIX=/home/.../Programme/RDKit make make install RDKit is build and installed, but not to the directory. Wh

Re: [Rdkit-devel] Install RDKit

2015-01-28 Thread Soren Wacker
Yes, it exists. But it always installs it into the source directory... Plus, I managed to compile it, but when I use the iphython notebook and import it. The kernel crashes. Installing RDKit causes lots of troubles, unfortunately. I would highly appreciate a conda install rdkit way of doing it,

Re: [Rdkit-devel] Install RDKit

2015-01-28 Thread Greg Landrum
Hi Soren, On Thu, Jan 29, 2015 at 2:03 AM, Soren Wacker wrote: > > I would highly appreciate a > conda install rdkit > > way of doing it, but that is probably not so easy to realize. > It wasn't easy to realize but fortunately Riccardo has already done the work: https://github.com/rdkit/conda-r